A single molecular junction can act as spintronic device when a molecule coupled with
magnetic electrodes. Various analyses have been done to understand the spin transport …

Understanding the spin-dependent electron transport through a single molecular junction
will provide in-depth knowledge to construct efficient molecular spintronic devices. The …

Using first-principles calculations based on density functional theory combined with the
nonequilibrium Green's function formalism, we studied the spin transport through a single …

Spin transport properties of a single ferrocene molecule connected between gold electrodes
by amine (NH 2), sulfur (S) and titanium (Ti) linkers are investigated using density functional …

Based on density functional theory combined with nonequilibrium Green's function method,
the spin polarization of hybrid interface states in magnetic molecular junctions and their …

The protonation and magnetism effects on the spin transport properties of benzo [b]
phenazine (BPE) and bis (o‐phenylenediamine) manganese (IV) complex (Mn‐OPD) …

Using an ab initio method based on non-equilibrium Green's functions (NEGF) combined
with density functional theory (DFT), a calculation of the transport properties of a single …

Using a first-principles approach based on non-equilibrium Green's functions combing
density functional theory, the transport properties of “radical-σ-radical” molecule sandwiched …

A new revolution in electronics is molecular spintronics, with the contemporary evolution of
the two novel disciplines of spintronics and molecular electronics. The key point is the …

Single‐molecule magnetic junctions serve as an important component for the manipulation
of spin‐polarized currents by chemical modifications and control of magnetic interactions in …